Structure Database (LMSD)

Common Name
10-HOPE
Systematic Name
10-hydroxy-3Z,6Z,8E,12Z,15Z-octadecapentaenoic acid
Synonyms
LM ID
LMFA02000465
Formula
C18H26O3
Exact Mass
Calculate m/z
290.188195
Sum Composition
FA 18:5;O
Status
Curated
Show lipids differing only in stereochemistry/bond geometry

Classification

Category
Main Class
Sub Class
Fatty Acyls [FA]
Octadecanoids [FA02]
Other Octadecanoids [FA0200]
Fatty Acids and Conjugates [FA01]
Hydroxy fatty acids [FA0105]
Unsaturated fatty acids [FA0103]

References

Taxonomy Information

Curated from
NCBI taxonomy class
Reference
synthetic construct (#32630)
No citation found

String Representations

InChiKey (Click to copy)
GZQPVGDQAXOOMC-WVMKNTHQSA-N
InChi (Click to copy)
InChI=1S/C18H26O3/c1-2-3-4-5-8-11-14-17(19)15-12-9-6-7-10-13-16-18(20)21/h3-4,6,8-13,15,17,19H,2,5,7,14,16H2,1H3,(H,20,21)/b4-3-,9-6-,11-8-,13-10-,15-12+
SMILES (Click to copy)
C(C/C=C\C/C=C\C=C\C(O)C/C=C\C/C=C\CC)(=O)O

Calculated Physicochemical Properties

Heavy Atoms 21
Rings
Aromatic Rings
Rotatable Bonds 11
Van der Waals Molecular Volume 330.49
Topological Polar Surface Area 57.53
Hydrogen Bond Donors 2
Hydrogen Bond Acceptors 3
logP 4.47
Molar Refractivity 88.61

Admin

Created at
9th Jan 2025
Updated at
9th Jan 2025